5K-589S
TL;DR: 5K-589S (CAS 338957-48-5) is a chemical compound with molecular formula C24H17Cl2F3N2OS and molecular weight 508.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dichloro-3-(2,6-dimethylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]quinazolin-4-one
Also Known As: 5K-589S, 6,8-dichloro-3-(2,6-dimethylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]quinazolin-4-one, 6,8-dichloro-3-(2,6-dimethylphenyl)-2-({[3-(trifluoromethyl)phenyl]sulfanyl}methyl)-4(3H)-quinazolinone, 6,8-dichloro-3-(2,6-dimethylphenyl)-2-({[3-(trifluoromethyl)phenyl]sulfanyl}methyl)-3,4-dihydroquinazolin-4-one
| Molecular Formula | C24H17Cl2F3N2OS |
|---|---|
| Molecular Weight | 508.04 g/mol |
| LogP | 7.62044 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 508.03906 |
| Heavy Atoms | 33 |
| Complexity | 1413.8887 |
Chemical Identifiers
| CAS Number | 338957-48-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2C(=NC3=C(C2=O)C=C(C=C3Cl)Cl)CSC4=CC=CC(=C4)C(F)(F)F |
Product Overview
5K-589S (CAS 338957-48-5), with molecular formula C24H17Cl2F3N2OS and molecular weight 508.04 g/mol. IUPAC: 6,8-dichloro-3-(2,6-dimethylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]quinazolin-4-one.
Chemical Property Profile of 5K-589S
Property Insights of 5K-589S
The XLogP value of 7.62044 indicates that 5K-589S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 5K-589S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5K-589S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5K-589S?
The CAS number of 5K-589S is 338957-48-5.
What is the molecular formula of 5K-589S?
The molecular formula of 5K-589S is C24H17Cl2F3N2OS.
What is the molecular weight of 5K-589S?
The molecular weight of 5K-589S is 508.04 g/mol.
Where can I buy 5K-589S?
You can request a quote for 5K-589S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-589S?
Yes, KEHONG BIO provides custom synthesis services for 5K-589S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.